N-[3-(azepan-1-ylsulfonyl)phenyl]quinoline-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]quinoline-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]quinoline-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]quinoline-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]quinaldamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O3S/c26-22(21-13-12-17-8-3-4-11-20(17)24-21)23-18-9-7-10-19(16-18)29(27,28)25-14-5-1-2-6-15-25/h3-4,7-13,16H,1-2,5-6,14-15H2,(H,23,26)